1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C19H23N3O — CID 3404052

IUPAC1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O/c23-19(21-14-17-7-4-10-20-13-17)18-8-11-22(12-9-18)15-16-5-2-1-3-6-16/h1-7,10,13,18H,8-9,11-12,14-15H2,(H,21,23)
InChIKeyLCCWWQQATKKNKK-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.61
Rot. Bonds5

About 1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 3404052) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID3404052
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O/c23-19(21-14-17-7-4-10-20-13-17)18-8-11-22(12-9-18)15-16-5-2-1-3-6-16/h1-7,10,13,18H,8-9,11-12,14-15H2,(H,21,23)
InChIKeyLCCWWQQATKKNKK-UHFFFAOYSA-N
XLogP2.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 51361852
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 42517374
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
1-[(4-fluoronaphthalen-1-yl)methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 167936968
1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 136579030
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 45008188
6-benzyl-N-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126462699
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53202240

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 3404052) is 1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccnc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is LCCWWQQATKKNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(21-14-17-7-4-10-20-13-17)18-8-11-22(12-9-18)15-16-5-2-1-3-6-16/h1-7,10,13,18H,8-9,11-12,14-15H2,(H,21,23).
What are the key properties of 1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3404052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).